Information card for entry 4335945

Structure parameters

• Formula: C96 H104 Fe6 Mn8 N8 O36
• Calculated formula: C84 H76 Fe6 Mn8 N4 O32
• Title of publication: Mn8Cluster with Ferrocene-1,1'-Dicarboxylate Ligation: Single-Molecule Magnetism with Multiple External Redox Centers
• Authors of publication: Antonio Masello; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10414 - 10423
• a: 24.015 ± 0.002 Å
• b: 14.8647 ± 0.0014 Å
• c: 29.558 ± 0.003 Å
• α: 90°
• β: 101.088 ± 0.005°
• γ: 90°
• Cell volume: 10354.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No